Information card for entry 2238570

Structure parameters

• Chemical name: 1',1''-Dimethyl-4'-(4-methylphenyl)dispiro[11<i>H</i>-indeno[1,2-b]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one
• Formula: C31 H30 N4 O
• Calculated formula: C31 H30 N4 O
• SMILES: CN1C[C@H]([C@]2([C@@]31c1c(cccc1)c1c3nc3c(cccc3)n1)CN(C)CCC2=O)c1ccc(cc1)C.CN1C[C@@H]([C@@]2([C@]31c1c(cccc1)c1c3nc3c(cccc3)n1)CN(C)CCC2=O)c1ccc(cc1)C
• Title of publication: 1',1''-Dimethyl-4'-(4-methylphenyl)dispiro[11<i>H</i>-indeno[1,2-b]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one
• Authors of publication: Nagalakshmi, R. A.; Suresh, J.; Malathi, K.; Kumar, R. Ranjith; Lakshman, P. L. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1466
• a: 22.3183 ± 0.0007 Å
• b: 14.4411 ± 0.0005 Å
• c: 17.2474 ± 0.0006 Å
• α: 90°
• β: 116.547 ± 0.002°
• γ: 90°
• Cell volume: 4972.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes